2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine

C8H7F4N3 — CID 107645980

IUPAC2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine
SMILESC/N=C(\N)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C8H7F4N3/c1-14-8(13)15-7-5(11)3(9)2-4(10)6(7)12/h2H,1H3,(H3,13,14,15)
InChIKeyZPBCNWIKENQKQL-UHFFFAOYSA-N
MW221.16 g/mol
LogP1.60
Rot. Bonds1

About 2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine

2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine (PubChem CID 107645980) has the molecular formula C8H7F4N3 and a molecular weight of 221.16 g/mol. Its IUPAC name is 2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine
PubChem CID107645980
Molecular FormulaC8H7F4N3
Molecular Weight221.16 g/mol
Exact Mass221.06
IUPAC Name2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine
SMILESC/N=C(\N)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C8H7F4N3/c1-14-8(13)15-7-5(11)3(9)2-4(10)6(7)12/h2H,1H3,(H3,13,14,15)
InChIKeyZPBCNWIKENQKQL-UHFFFAOYSA-N
XLogP1.60
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine?
The IUPAC name of 2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine (CID 107645980) is 2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine?
The canonical SMILES for 2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine is C/N=C(\N)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine?
The InChIKey is ZPBCNWIKENQKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N3/c1-14-8(13)15-7-5(11)3(9)2-4(10)6(7)12/h2H,1H3,(H3,13,14,15).
What are the key properties of 2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine?
2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine has a molecular weight of 221.16 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine is sourced from PubChem (CID 107645980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).